(NE)-N-[(3Z)-3-hydroxyimino-2,2-dimethyl-1-oxaspiro[4.5]decan-4-ylidene]hydroxylamine

C11H18N2O3 — CID 135789685

IUPAC(NE)-N-[(3Z)-3-hydroxyimino-2,2-dimethyl-1-oxaspiro[4.5]decan-4-ylidene]hydroxylamine
SMILESCC1(C)OC2(CCCCC2)C(=N/O)/C1=N/O
InChIInChI=1S/C11H18N2O3/c1-10(2)8(12-14)9(13-15)11(16-10)6-4-3-5-7-11/h14-15H,3-7H2,1-2H3/b12-8-,13-9+
InChIKeyXTYIORUYGUAQKJ-QRBCZBMESA-N
MW226.28 g/mol
LogP2.16
Rot. Bonds

About (NE)-N-[(3Z)-3-hydroxyimino-2,2-dimethyl-1-oxaspiro[4.5]decan-4-ylidene]hydroxylamine

(NE)-N-[(3Z)-3-hydroxyimino-2,2-dimethyl-1-oxaspiro[4.5]decan-4-ylidene]hydroxylamine (PubChem CID 135789685) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is (NE)-N-[(3Z)-3-hydroxyimino-2,2-dimethyl-1-oxaspiro[4.5]decan-4-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(3Z)-3-hydroxyimino-2,2-dimethyl-1-oxaspiro[4.5]decan-4-ylidene]hydroxylamine
PubChem CID135789685
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name(NE)-N-[(3Z)-3-hydroxyimino-2,2-dimethyl-1-oxaspiro[4.5]decan-4-ylidene]hydroxylamine
SMILESCC1(C)OC2(CCCCC2)C(=N/O)/C1=N/O
InChIInChI=1S/C11H18N2O3/c1-10(2)8(12-14)9(13-15)11(16-10)6-4-3-5-7-11/h14-15H,3-7H2,1-2H3/b12-8-,13-9+
InChIKeyXTYIORUYGUAQKJ-QRBCZBMESA-N
XLogP2.16
TPSA74.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(3Z)-3-hydroxyimino-2,2-dimethyl-1-oxaspiro[4.5]decan-4-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(3Z)-3-hydroxyimino-2,2-dimethyl-1-oxaspiro[4.5]decan-4-ylidene]hydroxylamine (CID 135789685) is (NE)-N-[(3Z)-3-hydroxyimino-2,2-dimethyl-1-oxaspiro[4.5]decan-4-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(3Z)-3-hydroxyimino-2,2-dimethyl-1-oxaspiro[4.5]decan-4-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(3Z)-3-hydroxyimino-2,2-dimethyl-1-oxaspiro[4.5]decan-4-ylidene]hydroxylamine is CC1(C)OC2(CCCCC2)C(=N/O)/C1=N/O.
What is the InChIKey of (NE)-N-[(3Z)-3-hydroxyimino-2,2-dimethyl-1-oxaspiro[4.5]decan-4-ylidene]hydroxylamine?
The InChIKey is XTYIORUYGUAQKJ-QRBCZBMESA-N. The full InChI is InChI=1S/C11H18N2O3/c1-10(2)8(12-14)9(13-15)11(16-10)6-4-3-5-7-11/h14-15H,3-7H2,1-2H3/b12-8-,13-9+.
What are the key properties of (NE)-N-[(3Z)-3-hydroxyimino-2,2-dimethyl-1-oxaspiro[4.5]decan-4-ylidene]hydroxylamine?
(NE)-N-[(3Z)-3-hydroxyimino-2,2-dimethyl-1-oxaspiro[4.5]decan-4-ylidene]hydroxylamine has a molecular weight of 226.28 g/mol, XLogP of 2.16, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(3Z)-3-hydroxyimino-2,2-dimethyl-1-oxaspiro[4.5]decan-4-ylidene]hydroxylamine is sourced from PubChem (CID 135789685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).